 Etot  =    -5583.295907
 Ekin  =     5838.860540
 Ecoul =     2249.707430
 Eenuc =   -13530.030073
 Exc   =     -141.833804
 1sP      -969.013341
 2sP      -144.296135
 2pM      -134.552859
 2pP      -127.543329
 3sP       -27.152029
 3pM       -23.215845
 3pP       -21.963130
 3dM       -14.938572
 3dP       -14.682762
 4sP        -4.201748
 4pM        -2.932777
 4pP        -2.717389
 4dM        -0.779052
 4dP        -0.752966
 5sP        -0.493205
